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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 3328 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 5412 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Error in prepare task.
Started By : CFGrote
0 891 Jun 23rd 1:54 am
CFGrote
PSPW_dplot not producing Gaussian cube file
Started By : Egarr93
2 726 Jun 22nd 8:56 pm
Egarr93
How to determine the orbital number of homo in a periodic system?
Started By : Zhenjiang
2 885 Jun 22nd 11:00 am
Zhenjiang
nwchem 6.6 tests fails with more than 16 cores
Started By : Fcannini
4 863 Jun 20th 1:19 pm
Fcannini
making the movecs file visual?
Started By : Zhenjiang
2 823 Jun 15th 9:48 am
Zhenjiang
Problem in band_dplot
Started By : Zhenjiang
3 612 Jun 15th 8:56 am
Zhenjiang
insuff stack error in running job
Started By : Satvinder singh
1 1339 Jun 14th 10:30 am
Edoapra
Buy Registered IELTS certificates without attending the Exam
Started By : Amadpokabir888
0 798 Jun 13th 6:26 am
Debashree
Erros calculating the raman spectra
Started By : Alarcj
1 1785 Jun 6th 1:30 pm
Alarcj
orbital energy for pspw calculations
Started By : Xw213
0 842 Jun 3rd 2:15 pm
Xw213
Problem with frozen atoms
Started By : Jfruggera
1 1114 May 31st 9:45 am
Bylaska
HF1D: Insufficient scratch space
Started By : Logsdail
2 1040 May 13th 6:17 am
Logsdail
Spin-orbit parameters
Started By : SP
0 676 May 6th 12:15 pm
SP
Bismuth's CRENBL ECP potential do not match with people-clarkson website.
Started By : SP
0 526 May 2nd 2:39 pm
SP
Polyacetylene: Singularity in Pulay matrix. Error and Fock matrices removed
Started By : Alarcj
2 949 Apr 29th 5:47 pm
Alarcj
Another Raman question - WARNING: CPKS procedure is NOT converged
Started By : Alarcj
0 779 Apr 29th 5:44 pm
Alarcj
bad gga
Started By : Godzilla
0 628 Apr 29th 4:38 pm
Godzilla
Error: geom_verify_coords failed
Started By : Zahrt
0 1304 Apr 29th 2:28 pm
Zahrt
Making movies with rasmolmovie
Started By : Alarcj
1 1125 Apr 25th 12:00 pm
Edoapra
Raman and vibrational modes
Started By : Alarcj
1 1303 Apr 25th 11:52 am
Edoapra
How to read the eigenvalues from the output?
Started By : Raul l
0 857 Apr 24th 10:01 pm
Raul l
Performance of NWCHEM-6.5
Started By : Makhyoun
0 728 Apr 21st 9:44 pm
Makhyoun
Expectation value of S2
Started By : Rasmus
0 1210 Apr 15th 7:26 am
Rasmus
Non-convergence of iterative solution of linear equations ("lkain: not converged")
Started By : Logsdail
4 953 Apr 11th 2:33 am
Logsdail
MCSCF problem (cannot create CI vector)
Started By : Nesquik91
0 818 Apr 3rd 7:15 pm
Nesquik91

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